O1-tert-butyl O2-ethyl 6-fluoranyl-3-[(3-oxidanylidene-3-phenyl-propyl)amino]indole-1,2-dicarboxylate

Systemtic Name: O1-tert-butyl O2-ethyl 6-fluoranyl-3-[(3-oxidanylidene-3-phenyl-propyl)amino]indole-1,2-dicarboxylate Openeye Name: O1-tert-butyl O2-ethyl 6-fluoro-3-[(3-oxo-3-phenyl-propyl)amino]indole-1,2-dicarboxylate CAS Name: 6-fluoro-3-[(3-oxo-3-phenylpropyl)amino]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester IUPAC Name: 1-O-tert-butyl 2-O-ethyl 6-fluoro-3-[(3-oxo-3-phenylpropyl)amino]indole-1,2-dicarboxylate Traditional Name: 6-fluoro-3-[(3-keto-3-phenyl-propyl)amino]indole-1,2-dicarboxylic acid O1-tert-butyl ester O2-ethyl ester Formula: C25H27FN2O5 MolecularWeight: 454.490683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)F)NCCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1C(=O)OC(C)(C)C)C=C(C=C2)F)NCCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27FN2O5/c1-5-32-23(30)22-21(27-14-13-20(29)16-9-7-6-8-10-16)18-12-11-17(26)15-19(18)28(22)24(31)33-25(2,3)4/h6-12,15,27H,5,13-14H2,1-4H3